기본 정보
- CAS
444905-95-7- 표준 SMILES
Cc1ccc(-c2csc(NC(=O)c3c(-c4c(F)cccc4Cl)noc3C)c2C(=O)OC(C)C)cc1- InChIKey
YLCZBBBESAILIE-UHFFFAOYSA-N- 분자식
- C26H22ClFN2O4S
- 평균 분자량
- 513 g/mol
- 단동위원소 질량
- 512.0972842
이름 및 식별자
- 우선 이름
- Isopropyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-(4-methylphenyl)-3-thiophenecarboxylate
- IUPAC
- propan-2-yl 2-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate
- 영어명
- isopropyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-(4-methylphenyl)-3-thiophenecarboxylate
- 분자식
- C26H22ClFN2O4S
- 분자량
- 512.9802832
이름 및 동의어
isopropyl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]carbonyl}amino)-4-(4-methylphenyl)-3-thiophenecarboxylateOprea1_288041AK-968/15361586STK422973AKOS003279961propan-2-yl 2-[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylateST50930409methylethyl 2-{[3-(6-chloro-2-fluorophenyl)-5-methylisoxazol-4-yl]carbonylamin o}-4-(4-methylphenyl)thiophene-3-carboxylatepropan-2-yl 2-({[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)-4-(4-methylphenyl)thiophene-3-carboxylate
데이터베이스 식별자
- CAS
444905-95-7- PubChem CID
- 1746628
물성
구조 계산 물성
- XLogP
- 7.2
- 극성 표면적
- 110 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 753
화학 및 산업
공급사1 곳
SPECS[email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…